(5-Methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone | 4819-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (5-Methoxy-1,2-dimethylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
• CAS: 4819-54-9
• 化学式: C₁₇H₂₃N₃O₂
• mdl: MFCD01579694
• 分子量: 301.4
• InChiKey: ALDLIVJBCFMRNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Env Polypeptide Complexes and Methods Of Use
  申请人：Srivastava Indresh K.

  公开号：US20080199492A1

  公开（公告）日：2008-08-21

  Provided herein are small molecule CD4 mimetics effective to bind to HIV Env proteins. A CD4 mimetic of the invention, when bound to an Env protein, is effective to induce a conformational change in the Env protein such that cyptic epitopes on the Env protein are exposed. Also provided herein are related methods of identifying and using such small molecule CD4 mimetics, for example, to elicit an immune response in a subject upon administration.
• ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE
  申请人：Srivastava Indresh K.

  公开号：US20120276141A1

  公开（公告）日：2012-11-01

  Provided herein are small molecule CD4 mimetics effective to bind to HIV Env proteins. A CD4 mimetic of the invention, when bound to an Env protein, is effective to induce a conformational change in the Env protein such that cyptic epitopes on the Env protein are exposed. Also provided herein are related methods of identifying and using such small molecule CD4 mimetics, for example, to elicit an immune response in a subject upon administration.
• US8197819B2
  申请人：——

  公开号：US8197819B2

  公开（公告）日：2012-06-12
• [EN] ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE<br/>[FR] COMPLEXES DE POLYPEPTIDES ENV ET METHODES D'UTILISATION CORRESPONDANTES
  申请人：CHIRON CORP

  公开号：WO2005121175A9

  公开（公告）日：2006-03-16

  [EN] Provided herein are small molecule CD4 mimetics effective to bind to HIV Env proteins. A CD4 mimetic of the invention, when bound to an Env protein, is effective to induce a conformational change in the Env protein such that cyptic epitopes on the Env protein are exposed. Also provided herein are related methods of identifying and using such small molecule CD4 mimetics, for example, to elicit an immune response in a subject upon administration.
  [FR] La présente invention concerne des mimétiques CD4 à petite molécule qui se lient efficacement aux protéines Env VIH. Un mimétique CD4 selon l'invention, une fois lié à une protéine Env, est efficace pour induire une modification conformationnelle de la protéine Env telle que les épitopes cryptiques de la protéine Env soient exposés. Cette invention porte également sur des méthodes d'identification et d'utilisation de ces mimétiques CD4 à petite molécule, par exemple, pour éliciter une réponse immunitaire chez un sujet suite à l'administration.